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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'da silva' and Initial = 'ab'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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1.91n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50415830
PNG
(CHEMBL1095256)
Show SMILES Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
Show InChI InChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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2.69n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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3.02n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102331
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H26N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14H,8-13H2,1-3H3
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5.01n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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6.03n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.46n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.46n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102352
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-hydroxy-phe...)
Show SMILES Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
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7.59n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102352
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-hydroxy-phe...)
Show SMILES Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
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7.59n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50415828
PNG
(CHEMBL1096903)
Show SMILES CC1CN(CCC(O)c2csc3ccc(F)cc23)CCN1c1cccc2OCOc12
Show InChI InChI=1S/C23H25FN2O3S/c1-15-12-25(9-10-26(15)19-3-2-4-21-23(19)29-14-28-21)8-7-20(27)18-13-30-22-6-5-16(24)11-17(18)22/h2-6,11,13,15,20,27H,7-10,12,14H2,1H3
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9.33n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102371
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14H,8-13H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102333
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9,19,24H,10-15H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102371
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14H,8-13H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50415829
PNG
(CHEMBL1099255)
Show SMILES Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccccc45)CC3)c2n1
Show InChI InChI=1S/C25H27N3OS/c1-18-9-10-19-5-4-7-22(25(19)26-18)28-15-13-27(14-16-28)12-11-23(29)21-17-30-24-8-3-2-6-20(21)24/h2-10,17,23,29H,11-16H2,1H3
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10.2n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102412
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
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12.0n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102412
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
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12.0n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102386
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(4-fluoro-2-me...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H25FN2O2S/c1-14-12-17(15(2)26-14)19(24)6-7-22-8-10-23(11-9-22)18-5-4-16(21)13-20(18)25-3/h4-5,12-13H,6-11H2,1-3H3
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12.9n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102337
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
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15.8n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102374
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
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17.4n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102350
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(5-methylt...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
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17.4n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102350
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(5-methylt...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
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17.4n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102374
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
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17.4n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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18.2n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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18.2n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102355
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
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19.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102355
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
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19.1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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19.9n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102380
PNG
(1-(3-(benzo[d][1,3]dioxol-5-yloxy)-3-phenylpropyl)...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O4/c1-30-25-10-6-5-9-23(25)29-17-15-28(16-18-29)14-13-24(21-7-3-2-4-8-21)33-22-11-12-26-27(19-22)32-20-31-26/h2-12,19,24H,13-18,20H2,1H3
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19.9n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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19.9n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102384
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3
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33.9n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102373
PNG
(3-(4-(naphthalen-1-yl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
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34.7n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102373
PNG
(3-(4-(naphthalen-1-yl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
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34.7n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118340
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(quinolin-5-yl)pipe...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
Show InChI InChI=1S/C24H25N3OS/c28-23(20-17-29-24-9-2-1-5-18(20)24)10-12-26-13-15-27(16-14-26)22-8-3-7-21-19(22)6-4-11-25-21/h1-9,11,17,23,28H,10,12-16H2
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37.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102338
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H24N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16H,10-15H2,1H3
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43.6n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102395
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
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47.9n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102395
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
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47.9n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102376
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3
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50.1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102383
PNG
(1-Phenyl-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-...)
Show SMILES O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2
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50.1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102354
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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50.1n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102354
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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50.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102376
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3
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50.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102383
PNG
(1-Phenyl-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-...)
Show SMILES O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2
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50.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102389
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H23N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9H,10-15H2,1H3
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50.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102402
PNG
(1-(3-(benzo[d][1,3]dioxol-5-yloxy)-3-(thiophen-3-y...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccsc2)CC1
Show InChI InChI=1S/C25H28N2O4S/c1-28-23-5-3-2-4-21(23)27-13-11-26(12-14-27)10-8-22(19-9-15-32-17-19)31-20-6-7-24-25(16-20)30-18-29-24/h2-7,9,15-17,22H,8,10-14,18H2,1H3
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55.0n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102337
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
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60.3n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118342
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H26N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18,24,28H,12-17H2
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66.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102365
PNG
(1-(3-(4-methoxyphenoxy)-3-phenylpropyl)-4-(2-metho...)
Show SMILES COc1ccc(OC(CCN2CCN(CC2)c2ccccc2OC)c2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O3/c1-30-23-12-14-24(15-13-23)32-26(22-8-4-3-5-9-22)16-17-28-18-20-29(21-19-28)25-10-6-7-11-27(25)31-2/h3-15,26H,16-21H2,1-2H3
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89.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102342
PNG
(2-(4-(3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropy...)
Show SMILES Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3
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89.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102342
PNG
(2-(4-(3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropy...)
Show SMILES Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3
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91.2n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
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